QuantumBio's premier API toolkit is a programming library for computational chemists in drug discovery that is fast, simple, and accurate. It has one main property, QuantumBio Library (QBLib).
QBLib is a proprietary application programming interface (API) consisting of the scientific core, file and database support facilities, communication, and parallelism. QBLib utilizes a linear scaling quantum program to provide accurate data and improved performance.
The API toolkit:
- allows access and utilization of QuantumBio's cutting edge capabilities and calculations
- can integrate predictive analytics for chemical characterizations seamlessly into your scientific workflow
- allows for creation of customized applications with object-oriented accessibility to a given set of capabilities
- is easy to use, allowing users to spend more time on innovation and less on setup
- offers easy integration with users current software, providing access to a complete range of computational methods.
- executes simulations - when possible - in parallel using MPI along with the highly parallel and open HDF5 data format.
QBLib employs linear scaling, semiempirical quantum mechanics (QM) algorithms in order to characterize entire protein/ligand complexes. It achieves this feat by dividing the protein into its component parts (e.g. amino acid residues), and treating each part separately.
The toolkit operates on Linux and Mac desktop and server architectures.
For more information on QuantumBio's Toolkit, please view the QB API Toolkit Specifications Fact Sheet. (Coming Soon)